2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine

C10H12F3NO — CID 107523915

IUPAC2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
SMILESNC(COCC(F)F)c1cccc(F)c1
InChIInChI=1S/C10H12F3NO/c11-8-3-1-2-7(4-8)9(14)5-15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeySKBYDKREYCMHGN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.11
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine

2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine (PubChem CID 107523915) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
PubChem CID107523915
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
SMILESNC(COCC(F)F)c1cccc(F)c1
InChIInChI=1S/C10H12F3NO/c11-8-3-1-2-7(4-8)9(14)5-15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeySKBYDKREYCMHGN-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 107523834
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-2-heptoxyethanamine
CID 45282775
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine (CID 107523915) is 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine is NC(COCC(F)F)c1cccc(F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine?
The InChIKey is SKBYDKREYCMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-8-3-1-2-7(4-8)9(14)5-15-6-10(12)13/h1-4,9-10H,5-6,14H2.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine?
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).